4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol

C24H22O3 — CID 101050457

IUPAC4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc(O)cc2)c(C)cc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C24H22O3/c1-17-15-21(10-4-19-7-13-23(26)14-8-19)24(27-2)16-20(17)9-3-18-5-11-22(25)12-6-18/h3-16,25-26H,1-2H3/b9-3+,10-4+
InChIKeyLPHLSRPVNVLSFF-LQIBPGRFSA-N
MW358.44 g/mol
LogP5.76
Rot. Bonds5

About 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol

4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol (PubChem CID 101050457) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
PubChem CID101050457
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc(O)cc2)c(C)cc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C24H22O3/c1-17-15-21(10-4-19-7-13-23(26)14-8-19)24(27-2)16-20(17)9-3-18-5-11-22(25)12-6-18/h3-16,25-26H,1-2H3/b9-3+,10-4+
InChIKeyLPHLSRPVNVLSFF-LQIBPGRFSA-N
XLogP5.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
CID 90729322
2-methoxy-5-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 142237968
4-[(E)-2-[4-[(E)-2-[3,5-bis[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]-N,N-dimethylaniline
CID 101371882
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
CID 162893724
4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
CID 155072350
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
(E)-3-(4-hydroxyphenyl)-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 39366987
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol
CID 171051478

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol (CID 101050457) is 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol is COc1cc(/C=C/c2ccc(O)cc2)c(C)cc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol?
The InChIKey is LPHLSRPVNVLSFF-LQIBPGRFSA-N. The full InChI is InChI=1S/C24H22O3/c1-17-15-21(10-4-19-7-13-23(26)14-8-19)24(27-2)16-20(17)9-3-18-5-11-22(25)12-6-18/h3-16,25-26H,1-2H3/b9-3+,10-4+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol?
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol has a molecular weight of 358.44 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol is sourced from PubChem (CID 101050457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).